1. Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study
    Z. Liu, L. Xiong, J. Li, S. Liu, and Süleyman Er
    International Journal of Hydrogen Energy 43, 21441 (2018).

  2. Preferential oxidation of CO in H2 on Cu and Cu/CeOx catalysts studied by in situ UV-Vis and mass spectrometry and DFT
    Y. Bu, Süleyman Er, J.W. Niemantsverdriet, and H.O.A. Fredriksson
    Journal of Catalysis 357, 176 (2018).

  3. Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D2 on Cu(211)
    G. Füchsel, K. Cao, Süleyman Er, E.W.F. Smeets, A.W. Kleyn, L.B.F. Juurlink, and G.-J. Kroes
    The Journal of Physical Chemistry Letters 9, 170 (2018).

  4. Tri­ethano­laminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe7(tea)3(tea-H)3](ClO4)2 (tea-H3 is tri­ethano­lamine)
    Jitse A. van der Horn and M.Lutz
    Acta Crystallographica Section C, C74, 125 (2018).

  5. Crystallization, Structure Determination and Reticular Twinning in Iron(III) Salicylate: Fe[(HSal)(Sal)(H2O)2]
    Jitse A. van der Horn, B. Souvignier, and M.Lutz
    Crystals, C74, 7, 377 (2017).

  6. Crystal structure of catena-poly[[copper(II)-[mu]2-salicylato-[diaqua­copper(II)]-[mu]2-salicylato] dihydrate]
    Jitse A. van der Horn and M.Lutz
    Acta Crystallographica Section E, E73, 235 (2017).

  7. Layer-by-layer assembled films of perylene diimide- and squaraine-containing metal-organic framework-like materials: solar energy capture and directional energy transfer
    H.J. Park, M.C. So, D.J. Gosztola, G.P. Wiederrecht, J.D. Emery, A.B.F. Martinson, Süleyman Er, C.E. Wilmer, N.A. Vermeulen, A. Aspuru-Guzik, J.F. Stoddart, O.K. Farha, and J.T. Hupp
    ACS Applied Materials & Interfaces 8, 24983 (2016).

  8. Improved hydrogen storage in Ca-decorated boron heterofullerenes: A theoretical study
    Süleyman Er, G.A. de Wijs, and G. Brocks
    Journal of Materials Chemistry A 3, 7710 (2015).

  9. Computational design of molecules for an all-quinone redox flow battery
    Süleyman Er, C. Suh, M. P. Marshak, and A. Aspuru-Guzik
    Chemical Science 6, 885 (2015). |→ Featured on the front cover of Chemical Science. One of the most downloaded articles in Chemical Science in 2015.

  10. High electrical conductivity in Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2, a semiconducting metal-organic graphene analogue
    D. Sheberla, L. Sun, M. Blood-Forsythe, Süleyman Er, C. Wade, C. Brozek, A. Aspuru-Guzik, and M. Dinca
    Journal of the American Chemical Society (2014). |→ Highlighted in: Nature 509, 263 (2014).

  11. A metal-free organic–inorganic aqueous flow battery
    B. Huskinson, M.P. Marshak, C. Suh, Süleyman Er, M.R. Gerhardt, C.J. Galvin, X. Chen, A. Aspuru-Guzik, R.G. Gordon, and M.J. Aziz
    Nature 505, 195 (2014). |→ Highlighted in: Nature 505, 163 (2014) & Science 344, 352 (2014).

  12. Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project
    J. Hachmann, R. Olivares-Amaya, A. Jinich, A.L. Appleton, M.A. Blood-Forsythe, L.R. Seress, C. Román-Salgado, K. Trepte, S. Atahan-Evrenk, Süleyman Er, S. Shrestha, R. Mondal, A. Sokolov, Z. Bao, and A. Aspuru-Guzik
    Energy & Environ. Sci. 7, 698 (2014). |→ Featured on the inside front cover of Energy & Environmental Science.

  13. A DFT study of the mechanism of copper-catalyzed synthesis of 2H-indazoles from aryl azide
    J. Li, Qi Zhang, C. Wu, H. Gu, and B. Yan
    Dalton Transactions 43, 55 (2014).

  14. Theoretical Studies on Intramolecular C-H Amination of Biaryl Azides Catalyzed by [FeⅢ(F20TPP)Cl]
    J. Li, C. Wu, Qi Zhang, and B. Yan
    Dalton Transactions 42, 14369 (2013).

  15. Theoretical Studies on Intramolecular C-H Amination of Biaryl Azides Catalyzed by Four Different Late Transition Metals
    Qi Zhang, C. Wu, L. Zhou, and J. Li
    Organometallics 32, 415 (2013).

  16. CuI- Mediated Sequential Iodination /Cycloetherification of o-Arylphenols: Synthesis of 2- or 4-Iododibenzofurans and Mechanistic Studies
    J. Zhao, Qi Zhang, L. Liu, Y. He, J. Li, J. Li, and Q. Zhu
    Organic Letters 14, 5362 (2012).

  17. Theoretical Studies on N-O or N-N Bond Formation from Aryl Azide Catalyzed by Iron(II) Bromide Complex
    J. Li and Qi Zhang, and L Zhou
    The Journal of Organic Chemistry 77, 2566 (2012).

  18. Carbon nanofibers in catalytic membrane microreactors
    H.C. Aran, S.P. Benito, M.W.J. Luiten-Olieman, Süleyman Er, M. Wessling, L. Lefferts, N.E. Benes, R.G.H. Lammertink
    Journal of Membrane Science 381, 244 (2011).

  19. Tuning the hydrogen storage in magnesium alloys
    Süleyman Er, G.A. de Wijs, and G. Brocks
    The Journal of Physical Chemistry Letters 1, 1982 (2010).

  20. First-principles modelling of magnesium titanium hydrides
    Süleyman Er, M.J. van Setten, G.A. de Wijs, and G. Brocks
    Journal of Physics: Condensed Matter 22, 074208 (2010).

  21. DFT study of planar boron sheets: A new template for hydrogen storage
    Süleyman Er, G.A. de Wijs, and G. Brocks
    The Journal of Physical Chemistry C 113, 18962 (2009).

  22. Hydrogen storage by polylithiated molecules and nanostructures
    Süleyman Er, G.A. de Wijs, and G. Brocks
    The Journal of Physical Chemistry C 113, 8997 (2009).

  23. First-principles study of the optical properties of MgxTi(1-x)H2
    M.J. van Setten, Süleyman Er, G. Brocks, R.A. de Groot, and G.A. de Wijs
    Physical Review B 79, 125117 (2009).

  24. Tunable hydrogen storage in magnesium-transition metal compounds: First-principles calculations
    Süleyman Er, D. Tiwari, G.A. de Wijs, and G. Brocks
    Physical Review B 79, 024105 (2009).


  1. Hydrogen storage materials: A first‐principles study
    Süleyman Er
    ISBN/EAN: 978-90-365-2895-5 DOI: 10.3990/1.9789036528955
    Printed by: Gildeprint Drukkerijen BV, Enschede, The Netherlands.